3-methoxy-4-(1,3-oxazol-5-yl)-N-(thiophen-3-ylmethyl)aniline

C15H14N2O2S — CID 73353931

IUPAC3-methoxy-4-(1,3-oxazol-5-yl)-N-(thiophen-3-ylmethyl)aniline
SMILESCOc1cc(NCc2ccsc2)ccc1-c1cnco1
InChIInChI=1S/C15H14N2O2S/c1-18-14-6-12(17-7-11-4-5-20-9-11)2-3-13(14)15-8-16-10-19-15/h2-6,8-10,17H,7H2,1H3
InChIKeyJENAJWFQCQWOAT-UHFFFAOYSA-N
MW286.36 g/mol
LogP4.02
Rot. Bonds5

About 3-methoxy-4-(1,3-oxazol-5-yl)-N-(thiophen-3-ylmethyl)aniline

3-methoxy-4-(1,3-oxazol-5-yl)-N-(thiophen-3-ylmethyl)aniline (PubChem CID 73353931) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 3-methoxy-4-(1,3-oxazol-5-yl)-N-(thiophen-3-ylmethyl)aniline.

Molecular Properties

Compound Name3-methoxy-4-(1,3-oxazol-5-yl)-N-(thiophen-3-ylmethyl)aniline
PubChem CID73353931
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name3-methoxy-4-(1,3-oxazol-5-yl)-N-(thiophen-3-ylmethyl)aniline
SMILESCOc1cc(NCc2ccsc2)ccc1-c1cnco1
InChIInChI=1S/C15H14N2O2S/c1-18-14-6-12(17-7-11-4-5-20-9-11)2-3-13(14)15-8-16-10-19-15/h2-6,8-10,17H,7H2,1H3
InChIKeyJENAJWFQCQWOAT-UHFFFAOYSA-N
XLogP4.02
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(1,3-oxazol-5-yl)-N-(thiophen-3-ylmethyl)aniline?
The IUPAC name of 3-methoxy-4-(1,3-oxazol-5-yl)-N-(thiophen-3-ylmethyl)aniline (CID 73353931) is 3-methoxy-4-(1,3-oxazol-5-yl)-N-(thiophen-3-ylmethyl)aniline.
What is the SMILES notation for 3-methoxy-4-(1,3-oxazol-5-yl)-N-(thiophen-3-ylmethyl)aniline?
The canonical SMILES for 3-methoxy-4-(1,3-oxazol-5-yl)-N-(thiophen-3-ylmethyl)aniline is COc1cc(NCc2ccsc2)ccc1-c1cnco1.
What is the InChIKey of 3-methoxy-4-(1,3-oxazol-5-yl)-N-(thiophen-3-ylmethyl)aniline?
The InChIKey is JENAJWFQCQWOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-18-14-6-12(17-7-11-4-5-20-9-11)2-3-13(14)15-8-16-10-19-15/h2-6,8-10,17H,7H2,1H3.
What are the key properties of 3-methoxy-4-(1,3-oxazol-5-yl)-N-(thiophen-3-ylmethyl)aniline?
3-methoxy-4-(1,3-oxazol-5-yl)-N-(thiophen-3-ylmethyl)aniline has a molecular weight of 286.36 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(1,3-oxazol-5-yl)-N-(thiophen-3-ylmethyl)aniline is sourced from PubChem (CID 73353931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).